REMARK  Name = BDB012762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.981  -2.712  -0.665  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.766  -2.064   0.536  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.262  -0.719   0.765  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -0.174  -0.700   2.241  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.737  -1.751   2.870  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.834  -2.805   1.783  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.246  -3.914  -0.671  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        0.671  -0.689  -3.714  0.00  0.00    +0.092 A 
ATOM      9  N   LIG    1        0.732  -1.940  -4.194  0.00  0.00    -0.176 NA
ATOM     10  N   LIG    1        0.883  -2.694  -3.093  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        0.970  -3.702  -3.191  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        0.876  -1.996  -1.916  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        0.790  -0.674  -2.305  0.00  0.00    +0.060 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -0.577   1.436  -4.218  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        0.498   0.467  -4.664  0.00  0.00    +0.162 C 
BRANCH  15  16
ATOM     16  O   LIG    1        0.156   0.015  -5.983  0.00  0.00    -0.386 OA
ATOM     17  H   LIG    1        0.330  -0.948  -5.955  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  18
ATOM     18  N   LIG    1       -0.059   0.581   2.908  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        0.085   0.583   3.909  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1       -0.607   1.714   2.367  0.00  0.00    +0.216 C 
ATOM     21  O   LIG    1       -1.040   1.806   1.228  0.00  0.00    -0.276 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -0.616   2.876   3.293  0.00  0.00    +0.075 C 
ATOM     23  C   LIG    1       -1.869   3.714   3.440  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1       -1.422   2.839   4.573  0.00  0.00    +0.013 C 
ENDBRANCH  20  22
ENDBRANCH   4  18
TORSDOF 5